[2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(diallylamino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-[bis(prop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(diallylamino)-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

C=CCN(CC=C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H21N3O5S/c1-3-12-21(13-4-2)17(22)14-26-18(23)15-6-8-16(9-7-15)27(24,25)20-11-5-10-19/h3-4,6-9,20H,1-2,5,11-14H2